9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

C217H175F12N15O20 — CID 158670512

IUPAC9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc2)cc1
InChIInChI=1S/C129H111N9O12.C88H64F12N6O8/c1-139-106-43-13-88(14-44-106)133(89-15-45-107(140-2)46-16-89)100-37-67-124-118(76-100)119-77-101(134(90-17-47-108(141-3)48-18-90)91-19-49-109(142-4)50-20-91)38-68-125(119)130(124)82-85-73-86(83-131-126-69-39-102(135(92-21-51-110(143-5)52-22-92)93-23-53-111(144-6)54-24-93)78-120(126)121-79-103(40-70-127(121)131)136(94-25-55-112(145-7)56-26-94)95-27-57-113(146-8)58-28-95)75-87(74-85)84-132-128-71-41-104(137(96-29-59-114(147-9)60-30-96)97-31-61-115(148-10)62-32-97)80-122(128)123-81-105(42-72-129(123)132)138(98-33-63-116(149-11)64-34-98)99-35-65-117(150-12)66-36-99;1-107-69-29-9-57(10-30-69)103(58-11-31-70(108-2)32-12-58)65-25-45-81-77(49-65)78-50-66(104(59-13-33-71(109-3)34-14-59)60-15-35-72(110-4)36-16-60)26-46-82(78)101(81)53-55-5-7-56(8-6-55)54-102-83-47-27-67(105(61-17-37-73(38-18-61)111-85(89,90)91)62-19-39-74(40-20-62)112-86(92,93)94)51-79(83)80-52-68(28-48-84(80)102)106(63-21-41-75(42-22-63)113-87(95,96)97)64-23-43-76(44-24-64)114-88(98,99)100/h13-81H,82-84H2,1-12H3;5-52H,53-54H2,1-4H3
InChIKeyIDWVZHFDQAOVJF-UHFFFAOYSA-N
MW3540.85 g/mol
LogP57.58
Rot. Bonds60

About 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine

9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 158670512) has the molecular formula C217H175F12N15O20 and a molecular weight of 3540.85 g/mol. Its IUPAC name is 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID158670512
Molecular FormulaC217H175F12N15O20
Molecular Weight3540.85 g/mol
Exact Mass3538.29
IUPAC Name9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc2)cc1
InChIInChI=1S/C129H111N9O12.C88H64F12N6O8/c1-139-106-43-13-88(14-44-106)133(89-15-45-107(140-2)46-16-89)100-37-67-124-118(76-100)119-77-101(134(90-17-47-108(141-3)48-18-90)91-19-49-109(142-4)50-20-91)38-68-125(119)130(124)82-85-73-86(83-131-126-69-39-102(135(92-21-51-110(143-5)52-22-92)93-23-53-111(144-6)54-24-93)78-120(126)121-79-103(40-70-127(121)131)136(94-25-55-112(145-7)56-26-94)95-27-57-113(146-8)58-28-95)75-87(74-85)84-132-128-71-41-104(137(96-29-59-114(147-9)60-30-96)97-31-61-115(148-10)62-32-97)80-122(128)123-81-105(42-72-129(123)132)138(98-33-63-116(149-11)64-34-98)99-35-65-117(150-12)66-36-99;1-107-69-29-9-57(10-30-69)103(58-11-31-70(108-2)32-12-58)65-25-45-81-77(49-65)78-50-66(104(59-13-33-71(109-3)34-14-59)60-15-35-72(110-4)36-16-60)26-46-82(78)101(81)53-55-5-7-56(8-6-55)54-102-83-47-27-67(105(61-17-37-73(38-18-61)111-85(89,90)91)62-19-39-74(40-20-62)112-86(92,93)94)51-79(83)80-52-68(28-48-84(80)102)106(63-21-41-75(42-22-63)113-87(95,96)97)64-23-43-76(44-24-64)114-88(98,99)100/h13-81H,82-84H2,1-12H3;5-52H,53-54H2,1-4H3
InChIKeyIDWVZHFDQAOVJF-UHFFFAOYSA-N
XLogP57.58
TPSA241.65 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds60
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003540.85
LogP ≤ 557.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine with MolForge

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Related Compounds

ethoxyethane;tetrakis((2S)-2-(4-methylphenyl)-10-phenyl-2-(trifluoromethyl)-[1,3,5]oxadiazino[3,2-a]indole)
CID 139050838
9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 154717251
3-N,6-N-diphenyl-3-N,6-N,9-tris[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582206
3-N,6-N,9-triphenyl-3-N,6-N-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582226
9-(4-fluorophenyl)-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 118857180
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546733
9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546736
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546739
9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546742
9-[2-[4-[2-(3,6-Dimethoxycarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole
CID 124173938
3-Methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole
CID 134192420
9-[[3-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 134215671

Frequently Asked Questions

What is the IUPAC name of 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 158670512) is 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc43)c2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc2)cc1.
What is the InChIKey of 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is IDWVZHFDQAOVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H111N9O12.C88H64F12N6O8/c1-139-106-43-13-88(14-44-106)133(89-15-45-107(140-2)46-16-89)100-37-67-124-118(76-100)119-77-101(134(90-17-47-108(141-3)48-18-90)91-19-49-109(142-4)50-20-91)38-68-125(119)130(124)82-85-73-86(83-131-126-69-39-102(135(92-21-51-110(143-5)52-22-92)93-23-53-111(144-6)54-24-93)78-120(126)121-79-103(40-70-127(121)131)136(94-25-55-112(145-7)56-26-94)95-27-57-113(146-8)58-28-95)75-87(74-85)84-132-128-71-41-104(137(96-29-59-114(147-9)60-30-96)97-31-61-115(148-10)62-32-97)80-122(128)123-81-105(42-72-129(123)132)138(98-33-63-116(149-11)64-34-98)99-35-65-117(150-12)66-36-99;1-107-69-29-9-57(10-30-69)103(58-11-31-70(108-2)32-12-58)65-25-45-81-77(49-65)78-50-66(104(59-13-33-71(109-3)34-14-59)60-15-35-72(110-4)36-16-60)26-46-82(78)101(81)53-55-5-7-56(8-6-55)54-102-83-47-27-67(105(61-17-37-73(38-18-61)111-85(89,90)91)62-19-39-74(40-20-62)112-86(92,93)94)51-79(83)80-52-68(28-48-84(80)102)106(63-21-41-75(42-22-63)113-87(95,96)97)64-23-43-76(44-24-64)114-88(98,99)100/h13-81H,82-84H2,1-12H3;5-52H,53-54H2,1-4H3.
What are the key properties of 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 3540.85 g/mol, XLogP of 57.58, 60 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 158670512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).